Mol:FL63DDNS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -1.9550   -0.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9550   -0.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4165   -1.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.1991   -0.7665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    0.1991   -0.1447    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
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    0.7101   -1.0615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6786    0.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2233   -0.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7681    0.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7681    0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2233    1.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6786    0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7681    0.7612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8618   -1.2328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.3122    0.4741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8121    1.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4954    1.6453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9264    2.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
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  3  4  2  0  0  0  0 
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  8 11  1  6  0  0  0 
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 23 24  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25    1.4954    1.6453 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23   -2.3122    0.4741 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21   -1.8618   -1.2328 
S  SKP  8 
ID	FL63DDNS0002 
KNApSAcK_ID	C00008815 
NAME	Epicatechin 5,7,3'-trimethyl ether 
CAS_RN	97914-19-7 
FORMULA	C18H20O6 
EXACTMASS	332.125988372 
AVERAGEMASS	332.3478 
SMILES	O(c23)[C@@H]([C@H](O)Cc(c(OC)cc(OC)c3)2)c(c1)cc(OC)c(O)c1 
M  END